Home Halogens Benzenemethanamine, 4-chloro-a-(2-methylpropyl)-

Benzenemethanamine, 4-chloro-a-(2-methylpropyl)-

CAS No.:
91428-42-1
Catalog Number:
AG01AKQ6
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
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Product Description
Catalog Number:
AG01AKQ6
Chemical Name:
Benzenemethanamine, 4-chloro-a-(2-methylpropyl)-
CAS Number:
91428-42-1
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
MDL Number:
MFCD11127114
IUPAC Name:
1-(4-chlorophenyl)-3-methylbutan-1-amine
InChI:
InChI=1S/C11H16ClN/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8,11H,7,13H2,1-2H3
InChI Key:
PGWGGHJHFDCJDR-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)Cl)CC(C)C
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.097g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.706g/mol
Monoisotopic Mass:
197.097g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties